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4,7,10,13,16,19,22-heptaoxapentacos-24-ynoic acid

4,7,10,13,16,19,22-heptaoxapentacos-24-ynoic acid

CAS: 2093154-00-6

Formula: C18H32O9

SMILES: OC(=O)CCOCCOCCOCCOCCOCCOCCOCC#C

IUPAC: 4,7,10,13,16,19,22-heptaoxapentacos-24-ynoic acid

InChI: InChI=1S/C18H32O9/c1-2-4-21-6-8-23-10-12-25-14-16-27-17-15-26-13-11-24-9-7-22-5-3-18(19)20/h1H,3-17H2,(H,19,20)

Composition: C (55.09%), H (8.22%), O (36.69%)

Molar Mass: 392.445

Atom Count: 59

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 392.20463261
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 1
InChIKey VCXGERMSMMAGNQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.64
Topological Polar Surface Area 101.91
Polarizability 38.32
Ring Count 0
Rotatable Bond Count 22

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2093154-00-6 $274.05-$784.35$274.05$406.35$784.35
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